(E)-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-[(2,6-dichlorophenyl)methoxy]ethanimine
Formula:C15H10N2OCl3F3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
(E)-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-[(2,6-dichlorophenyl)methoxy]ethanimine is not a drug-like molecule.
| MolName | (E)-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-[(2,6-dichlorophenyl)methoxy]ethanimine |
| MolecularFormula | C15H10N2OCl3F3 |
| Smiles | FC(c1cc(Cl)c(C/C=N/OCc(c(Cl)ccc2)c2Cl)nc1)(F)F |
| InChI | InChI=1S/C15H10Cl3F3N2O/c16-11-2-1-3-12(17)10(11)8-24-23-5-4-14-13(18)6-9(7-22-14)15(19,20)21/h1-3,5-7H,4,8H2 |
| InChIK | KTMOVHTXQIPMGX-UHFFFAOYSA-N |
| TotalMolweight | 397.61 |
| Molweight | 397.61 |
| MonoisotopicMass | 395.981078 |
| CLogP | 5.2423 |
| CLogS | -5.744 |
| H Acceptors | 3 |
| TotalSurfaceArea | 269.78 |
| Relative PSA | 0.12039 |
| PolarSurfaceArea | 34.48 |
| Druglikeness | -7.1767 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (E)-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-[(2,6-dichlorophenyl)methoxy]ethanimine | 2 - (E)-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-[(2,6-dichlorophenyl)methoxy]ethanimine
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